Sugi Predict

Sugi Predict / Compounds / SCHEMBL949805

SCHEMBL949805

SCHEMBL949805

[CH](c1ccccc1)N1CCNCC1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 4/20 0.50
▸ ADRB1 P08588 3/20 0.50
▸ HTR3E A5X5Y0 1/20 0.50
▸ HTR3B O95264 1/20 0.50
▸ HTR3A P46098 1/20 0.50
▸ HTR3D Q70Z44 1/20 0.50
▸ HTR3C Q8WXA8 1/20 0.50
▸ KMT2A Q03164 2/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ HTR1A P08908 3/20 0.41
▸ HTR7 P34969 2/20 0.41
▸ HTR6 P50406 2/20 0.41
▸ HTR2A P28223 1/20 0.41
▸ HTR5A P47898 1/20 0.41
▸ LTA4H P09960 1/20 0.40
▸ PLD1 Q13393 1/20 0.38
▸ SLC6A2 P23975 2/20 0.38
▸ SLC6A4 P31645 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ HPGD P15428 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL7288443 0.81 PLD1 (0.52) SIGMAR1ADRB1HTR3EHTR3BHTR3A
SCHEMBL1631738 0.79 CHRNB2 (0.47) KMT2AMEN1SLC6A2SLC6A4ALDH1A1
SCHEMBL27309131 0.78 SIGMAR1 (0.47) SIGMAR1ADRB1HTR3EHTR3BHTR3A
SCHEMBL1177108 0.78 ALDH1A1 (0.43) KMT2AMEN1LTA4HHPGDSMN1; SMN2
SCHEMBL8386424 0.78 MEN1 (0.47) KMT2AMEN1POLBHPGDSMN1; SMN2
Hydrochloric Acid SCHEMBL27512584 0.77 SIGMAR1 (0.45) SIGMAR1ADRB1HTR3EHTR3BHTR3A
SCHEMBL27811539 0.77 HTR6 (0.40) SIGMAR1KMT2AMEN1HTR6POLB
SCHEMBL947117 0.76 HPGD (0.46) KMT2AMEN1HPGDSMN1; SMN2ALDH1A1
SCHEMBL7503359 0.74 ADRB1 (0.53) SIGMAR1ADRB1HTR3AHTR1ASLC6A2
SCHEMBL1854513 0.73 SIGMAR1 (0.52) SIGMAR1KMT2AMEN1HTR2APOLB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 103 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101910168-B Tropane compounds EXELIXIS INC 2014-07-30 — — CN claimed
US-8044041-B2 e.g. 4-Chloro-1-hydroxy-phthalazine-6-carboxylic acid [4-chloro-3'-(2-dimethylamino-ethoxy)-biphenyl-3-yl]-amide; multifunctioning protein kinase inhibitors; anticarcinogenic, antiinflammatory, antidiabetic agent, neurodegenerative diseases FOREST LABORATORIES HOLDINGS LIMITED (BM) 2011-10-25 — — US claimed
US-8012956-B2 Tropane compounds EXELIXIS, INC. (US) 2011-09-06 — — US claimed
CN-101910168-A Tropane compounds EXELIXIS INC 2010-12-08 — — CN claimed
EP-2074120-B1 TROPANE COMPOUNDS EXELIXIS INC (US) 2010-03-03 — — EP claimed
EP-2131656-A2 PHTHALAZINE DERIVATIVES Forest Laboratories Holdings Limited (BM) 2009-12-16 — — EP claimed
EP-2074120-A1 TROPANE COMPOUNDS Exelixis, Inc. (US) 2009-07-01 — — EP claimed
US-20090163471-A1 Tropane compounds EXELIXIS, INC. 2009-06-25 — — US claimed
WO-2009055077-A1 TROPANE COMPOUNDS EXELIXIS, INC. (US) 2009-04-30 — — WO claimed
CN-100396668-C Non-imidazole aryloxypiperidines ORTHO MCNEIL PHARM INC (US) 2008-06-25 — — CN claimed
US-20080146547-A1 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-06-19 — — US claimed
WO-2008061108-A2 PHTHALAZINE DERIVATIVES FOREST LABORATORIES HOLDINGS LIMITED (BM) 2008-05-22 — — WO claimed
US-6359061-B1 COMBINATORIAL LIBRARIES ARE USEFUL FOR SCREENING IN BIOLOGCAL ASSAYS IN ORDER TO IDENTIFY PHARMACEUTICALLY USEFUL COMPOUNDS ISIS PHARMACEUTICALS, INC. 2002-03-19 — — US claimed
EP-4363421-A1 IMIDAZOTRIAZINE DERIVATIVES AS IL-17 MODULATORS UCB Biopharma SRL (BE) 2024-05-08 — — EP disclosed
US-20240140951-A1 IMIDAZOPYRIDAZINE DERIVATIVES AS IL-17 MODULATORS UCB Biopharma SRL (BE) 2024-05-02 — — US disclosed
US-20230399328-A1 DICYCLOPROPYLMETHYL DERIVATIVES AS IL-17 MODULATORS UCB BIOPHARMA SRL (SOCIETE A RESPONSABILITE LIMITEE) (BE) 2023-12-14 — — US disclosed
US-5124330-A (E)-ethyl 3-(4-chloro-α-(4-methyl-1-piperazinyl)benzyl)cinnamate used for potentiating the effects of antitumor agents and combating multiple drug resistance BURROUGHS WELLCOME COMPANY (US) 1992-06-23 — — US disclosed
US-5124330-A (E)-ethyl 3-(4-chloro-α-(4-methyl-1-piperazinyl)benzyl)cinnamate used for potentiating the effects of antitumor agents and combating multiple drug resistance BURROUGHS WELLCOME COMPANY (US) 1992-06-23 — — US disclosed
US-4757074-A Antihistamines BURROUGHS WELLCOME CO. (US) 1988-07-12 — — US disclosed
US-4130646-A SEDATIVE, MUSCLE RELAXANT, TRANQUILIZER E. R. SQUIBB & SONS, INC. (US) 1978-12-19 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230399328-A1 DICYCLOPROPYLMETHYL DERIVATIVES AS IL-17 MODULATORS IL17A, IL23R, IL2 SIGMAR1 4722/4885ADRB1 2963/4885HTR3E 2430/4885
US-20080146547-A1 PHTHALAZINE DERIVATIVES CDK5, HIPK2, PACSIN2 SIGMAR1 4282/4885ADRB1 4090/4885HTR3E 2866/4885
US-20240140951-A1 IMIDAZOPYRIDAZINE DERIVATIVES AS IL-17 MODULATORS IL17A, IL15, IL2 SIGMAR1 4137/4885ADRB1 551/4885HTR3E 2044/4885
US-20090163471-A1 Tropane compounds ADRA1B, ADRA2B, ADRB2 SIGMAR1 143/4885ADRB1 5/4885HTR3E 344/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.